The aim of the course is to introduce theoreticians as well as experimentalists
into the KKR bandstructure method and its use to calculate various electronic
and magnetic properties of magnetic solids (see also the ΨPsi-k highlight).
Emphasis will be put on the fully relativistic formulation, on the implementation
of clusters, surfaces and ordered as well as disordered solids, on linear response
phenomena and on the calculation of spectroscopic processes and magnetic properties.
In addition to the general features of the code, particular focus of the course will
be on calculation of magnetic properties, such as exchange couplings and magnetic
anisotropies, as well as applications to angle resolved photoemission spectroscopy
(ARPES) experiments based on a one step model will be the focus of this course.
To understand and comprehend the formal background and technical details of the KKR
method several lectures on corresponding topics will be given by our speakers. For
direct applications the first sessions will be devoted to introduce the Munich
SPR-KKR program package, including its graphical user interface called xband. The
participants will individually work with the various calculation possibilities of
SPR-KKR while being guided by tutors. These sessions are meant in particular to
introduce the field to inexperienced users, but also more adapted users will have
the opportunity to discuss individual problems with the tutors and authors of SPR-KKR.
The course will be held at Daresbury Laboratory in collaboration with the
COST Action EUSpec "Modern Tools for Spectroscopy on Advanced Materials: a European
Modelling Platform" (EUSpec.eu) as well as the UK collaborative computational
projects CCP9 (http://www.ccp9.ac.uk) and CCP-mag (http://www.ccp-mag.ac.uk). There
will be a small fee of 50 Pounds for the course.
The cost of up to 4 nights at the Mercure Hotel (at our negotiated rate of 75 Pounds
per night) will be reimbursed after the event as far as resources allow.
The registration for the course and further information can be found on the following
web page:
https://eventbooking.stfc.ac.uk/news-events/spr-kkr-hands-on-course-2016http://psi-k.net/events/spr-kkr-hands-on-course-2016